سمتهای علمی و اجرایی در دانشگاهها و مراکز علمی کشور
سمتهای علمی و اجرایی در مجلات و ژورنالهای معتبر ایران
ISI Papers
- "Li-Decorated Fullerenes: A DFT Study", Springer Science and Business Media LLC, (2018), Vol 30, No 1: 69-76
- "Addition of borazine to boron nitride nanotubes: [2+2] cycloaddition or bond cleavage", Springer Science and Business Media LLC, (2019), Vol 150, No 6: 1019-1024
- "Silicon doping of defect sites in Stone–Wales defective carbon nanotubes: A density functional theory study", Elsevier BV, (2013), Vol 60, No : 1-9
- "Exploring magnetic properties and Curved π-Conjugation of BxNyCz nanotubes using density functional theory", Elsevier BV, (2013), Vol 57, No : 66-76
- "Electronic and Chemical Characterization of Aluminum–Nitrogen (AlN) Substituted Fullerenes: C58AlN to C24Al12N12", Springer Science and Business Media LLC, (2013), Vol 24, No 1: 327-339
- "An investigation of curvature effects on the nitrogen and boron chemical shielding tensors as well as NICS characterization of BN nanotubes with Stone–Wales defects: A DFT study", Elsevier BV, (2013), Vol 55, No : 33-44
- "A computational investigation of electronic structure as well as 19F and 29Si chemical shielding tensors in the fluorinated silicon fullerenes SinFn (n≤60)", Elsevier BV, (2013), Vol 48, No : 13-20
- "A computational investigation of 11B and 15N chemical shielding tensors as well as local aromaticity based on NICS characterization in the N/B doped triangular graphene quantum dots", Elsevier BV, (2013), Vol 62, No : 207-216
- "Theoretical identification of the lowest energy structure of C70−n Si n , n = 1, 2, 6, 10, and 20 heterofullerenes", Springer Science and Business Media LLC, (2013), Vol 25, No 2: 617-623
- "Stone–Wales defect formation in the zigzag and armchair BC2N nanotubes: A DFT study", Elsevier BV, (2014), Vol 58, No : 94-100
- "Mono- and multiply-functionalized fullerene derivatives through 1,3-dipolar cycloadditions: A DFT study", Elsevier BV, (2014), Vol 56, No : 351-356
- "Fully and partially exohydrogenated Si80 fullerene cage: a DFT study", Springer Science and Business Media LLC, (2013), Vol 25, No 2: 575-581
- "Fullerene Dimers Connected through C<sub>24</sub>and C<sub>36</sub>Bridge Cages", Korean Chemical Society, (2014), Vol 35, No 4: 1005-1010
- "Exploring the electronic and magnetic properties of zigzag and armchair BC2N nanotubes: a DFT study", Springer Science and Business Media LLC, (2013), Vol 25, No 1: 95-102
- "Exploring 11B and 15N NMR parameters of C70−2x (BN) x fullerenes (x = 3–25) in connection with local structures and curvature effects: a DFT study", Springer Science and Business Media LLC, (2013), Vol 145, No 3: 411-419
- "Evaluation of on-cage phosphorus doping of hydrogenated silicon fullerenes: a computational study", Springer Science and Business Media LLC, (2013), Vol 25, No 1: 37-42
- "1,3-Dipolar cycloaddition of BC2N nanotubes: A DFT study", Elsevier BV, (2014), Vol 1034, No : 32-37
- "(SiH)48X12 Heterofullerenes with the Group III and V Dopants: A DFT Prediction of Geometry, Stability, and Electronic Structure", Springer Science and Business Media LLC, (2013), Vol 25, No 2: 505-515
- "A Computational Investigation of the Electronic Properties of Partially Hydrogenated Fullerenes C<sub>60</sub>H<sub>n</sub>(<i>n</i>= 18, 20, 24, 36 and 48)", Informa UK Limited, (2014), Vol 23, No 1: 40-48
- "N–N bond cleavage and ring expansion at the surface of exchange and substitutional antisite defective boron nitride nanotubes by boron cluster: A density functional theory study", Springer Science and Business Media LLC, (2019), Vol 93, No 4:
- "Reaction of HSSS. radical with guanine and formation of 8-thioguanine: a computational study", Springer Science and Business Media LLC, (2019), Vol 31, No 2: 763-768
- "Efficient Cd/Ce nanoparticles supported on reduced graphene oxide for the reduction of 4-nitrophenol and the oxidation of olefins: Experimental and theoretical study", Elsevier BV, (2020), Vol 125, No : 110773
- "Design of new pincer fullerene ligands thorough [2+3] cycloaddition of the azomethine ylides to fullerene cage: a DFT study", Informa UK Limited, (2020), Vol 46, No 7: 565-572
- "Theoretical exploration of the LiF-decorated BN cages as hydrogen storage materials", Springer Science and Business Media LLC, (2021), Vol 152, No 8: 931-938
- "Sustainable conversion of carbon dioxide to formic acid with Rh-decorated phosphorous-doped fullerenes: a theoretical study", Springer Science and Business Media LLC, (2020), Vol 32, No 1: 97-106
- "Prediction of procarbazine adsorption on the hydroxyethyl cellulose: A density functional theory study", Elsevier BV, (2021), Vol 1200, No : 113250
- "New Cu(II), Co(II) and Ni(II) azo-Schiff base complexes: Synthesis, characterization, catalytic oxidation of alkenes and DFT study", Elsevier BV, (2021), Vol 200, No : 115148
- "Hydroxyl bond activation of formic acid by Metal-ligand cooperation of new designed aluminum ligated pincer fullerenes", Elsevier BV, (2021), Vol 549, No : 111262
- "Hydrogenation of Carbon Dioxide into Formic Acid by Aluminum Ligated NNN Pincer Fullerene Through Metal–Ligand H2O-Assisted Pathway: A Computational Study", Springer Science and Business Media LLC, (2021), Vol 152, No 4: 1224-1232
- "Diels–Alder cycloaddition of the silicon–silicon bonds at pentagon junctions of Si-doped non-IPR and SW defective fullerenes", Springer Science and Business Media LLC, (2021), Vol 152, No 2: 241-250
- "Computational Design of New N-Heterocyclic Silyl Pincer Fullerenes", Springer Science and Business Media LLC, (2021), Vol 14, No 8: 3871-3878
- "Computational Design of New Hydroborane Fullerene-Based Pincer Ligands", Springer Science and Business Media LLC, (2021), Vol 33, No 3: 1239-1248
- "BN-Substituted non-classical fullerenes containing square rings", Springer Science and Business Media LLC, (2021), Vol 95, No 1:
- "A new Fe3+ colorimetric sensor: Nitrophenyl bispyrazole derivative synthesis using Fe3O4@SiO2@Si-Pr-NH-(CH2)2-NH2 and its DFT study", Elsevier BV, (2022), Vol 275, No : 125285
- "[2 + 2] Cycloaddition and Bond Cleavage of Boron Nitride Cages with Iminoborane: A DFT Study", Springer Science and Business Media LLC, (2020), Vol 33, No 1: 29-35
- "The interaction of hydrogen with Li-coated C70 fullerene: A DFT study", Elsevier BV, (2018), Vol 43, No 27: 12271-12277
- "Thiozonation and thiozonolysis of triatomic sulfur (S3) on the C70 fullerene: a DFT study", Springer Science and Business Media LLC, (2018), Vol 29, No 5: 1299-1306
- "Formation of boron nitride islands in the graphene nanoflakes: A DFT study", Elsevier BV, (2019), Vol 223, No : 164-170
- "Exploring Adjacent Pentagons in Non-IPR and SW Defective Si60 and Si70 Silicon Fullerenes: a Computational Study", Springer Science and Business Media LLC, (2018), Vol 11, No 1: 323-329
- "Polarizability of the Si60H60 Derivatives Containing Epoxide Moieties (Si60H60−2nOn with n up to 30): A DFT Study", Springer Science and Business Media LLC, (2018), Vol 29, No 5: 889-896
- "Exploring Electronic Properties of Si<sub>20-<i>n</i></sub>H<sub>20-<i>n</i></sub>P<i><sub>n</sub></i>Heterofullerenes (<i>N</i>= 1, 2, 5, and 10) Based on NMR and NBO Analysis: A DFT Study", Informa UK Limited, (2013), Vol 189, No 1: 60-73
- "Theoretical studies on one-dimensional polymers constructed from BN-substituted C36 fullerene", Elsevier BV, (2013), Vol 1017, No : 1-6
- "A computational NICS and 13C NMR characterization of the substitution patterns of C70−2x(BN)x fullerenes (x=1–25)", Elsevier BV, (2012), Vol 73, No 11: 1378-1384
- "Exploring the electronic and magnetic properties of C60 fullerene dimers with ladderane-like hexagonal bridges", Elsevier BV, (2012), Vol 1000, No : 85-91
- "Density functional investigation of the electronic properties of B80 fullerene exposed to regioselective chemisorption of nucleophiles NH3, PH3 and AsH3", Elsevier BV, (2012), Vol 52, No 4: 861-871
- "A computational proof toward correlation between the theoretical chemical concept of electrophilicity index for the acceptors of C60 and C70 fullerene derivatives with the open-circuit voltage of polymer-fullerene solar cells", Elsevier BV, (2012), Vol 105, No : 125-131
- "A computational NICS and 13C NMR characterization of BN-substituted 60C fullerenes", Elsevier BV, (2011), Vol 44, No 2: 400-404
- "Exploring the simultaneous existence of Stone-Wales and carbon ad-dimer defects in the zigzag single-walled carbon nanotubes", Elsevier BV, (2016), Vol 83, No : 238-245
- "Hydrogen-abstraction reactions of fully hydrogenated silicon fullerene cages with the amino radical: a density functional study", Springer Science and Business Media LLC, (2017), Vol 29, No 2: 607-614
- "Facile synthesis of Co(II) and Cu(II) complexes of 2-hydroxybenzophenone: An efficient catalyst for oxidation of olefins and DFT study", Elsevier BV, (2017), Vol 1146, No : 450-457
- "Boron-nitride ad-unit and carbon ad-dimer defects in the boron nitride nanotubes", Elsevier BV, (2015), Vol 79, No : 7-13
- "Carbon Doping of Defect Sites in Stone–Wales Defective Boron-nitride Nanotubes: A Density Functional Theory Study", Springer Science and Business Media LLC, (2013), Vol 24, No 3: 865-879
- "A computational investigation of the electronic properties of Octahedral Al n N n and Al n P n cages (n = 12, 16, 28, 36, and 48)", Springer Science and Business Media LLC, (2012), Vol 24, No 2: 681-689
- "A Computational Nuclear Magnetic Resonance and Nucleus-Independent Chemical Shifts Characterization of AlN-Substituted Fullerenes: C<SUB>58</SUB>AlN to C<SUB>24</SUB>Al<SUB>12</SUB>N<SUB>12</SUB>C/Al/N Balls", American Scientific Publishers, (2013), Vol 10, No 2: 496-503
- "Cyclosulfurization of C60 and C70 fullerenes: a DFT study", Springer Science and Business Media LLC, (2015), Vol 26, No 4: 1115-1124
- "A computational NICS and 13C NMR characterization of the polyfluorofullerenes C60Fn (n=18, 20, 24, 36 and 48)", Elsevier BV, (2013), Vol 145, No : 88-94
- "Hydrogen-abstraction reactions of fully hydrogenated fullerene cages with the amino radical: a density functional study", Informa UK Limited, (2017), Vol 116, No 2: 179-185
- "Functionalization of pentagon–pentagon edges of fullerenes by cyclic polysulfides: A DFT study", Elsevier BV, (2016), Vol 92, No : 26-31
- "Chlorofluorofullerenes (CFFs)", Springer Science and Business Media LLC, (2017), Vol 28, No 6: 1707-1716
- "BN-Substituted fullerenes C60−2x (BN) x : a computational 11B and 15N NMR study", Springer Science and Business Media LLC, (2012), Vol 23, No 6: 1921-1929
- "Theoretical study on the mono and multiply oxygenated Si<sub>60</sub>H<sub>60</sub> fullerene", Informa UK Limited, (2015), Vol 114, No 6: 819-828
- "Investigation of curvature effects on the nitrogen and boron electric field gradient and chemical shielding tensors in the mono-BN-substituted fullerenes: A density functional theory", Elsevier BV, (2012), Vol 45, No : 183-189
- "A Computational NICS and 13C NMR Characterization of C60−n Si n Heterofullerenes (n = 1, 2, 6, 12, 20, 24, 30)", Springer Science and Business Media LLC, (2012), Vol 23, No 2: 469-480
- "Exploring magnetic properties inside full equatorial BN-substituted fullerenes Cn (n=20, 24, 30, 36, 60, 80): A computational NICS characterization", Elsevier BV, (2012), Vol 44, No 7-8: 1386-1391
- "A computational investigation of 11B electric field gradient and chemical shielding tensors as well as NBO analysis in the B80 fullerene", Elsevier BV, (2012), Vol 14, No 3: 381-386
- "Exploring electronic structures for the most stable isomers of C12B6N6 and B6N6C12 heterofullerenes based on NMR, NICS and NBO analysis: A DFT study", Elsevier BV, (2012), Vol 44, No 10: 1992-1998
- "Theoretical Investigation of Mono and Multiply Oxygenated C70 Fullerenes", Springer Science and Business Media LLC, (2014), Vol 25, No 4: 1109-1119
- "BN Belts: From Small Fullerenes to Nanocapsules", Springer Science and Business Media LLC, (2014), Vol 25, No 4: 1173-1185
- "1H and 29Si NMR investigation of SinHn polysilanes with n≤60: A DFT study", Elsevier BV, (2012), Vol 44, No 10: 2099-2104
- "Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe+ and C70Fe+", Elsevier BV, (2017), Vol 72, No : 50-57
Conference Papers
- Interaction of Procarbazine Anticancer Drug on Modified Cellulose as a Nanocarrier in Controlled Release: A DFT Study ارائه شده در 7th National Congress in Chemistry and Chemical Engineering with emphasis on Iranian indigenous technologies (1399)
- BN Substituted Non-Classical Fullerenes ارائه شده در The 21st Chemical Physics Conference of Iran Chemistry Association (1397)
- Interaction of Glycine with BC2N Nanotubes: Dative Covalent and Hydrogen Bonding ارائه شده در The 21st Chemical Physics Conference of Iran Chemistry Association (1397)
- Interaction of Boron Clusters with Aantisite Defective BNNTs: A DFT Study ارائه شده در The 21st Chemical Physics Conference of Iran Chemistry Association (1397)
- Correlatio n betwee n the theoretical ch emical co ncept of electrophilicity index for fu llerene de rivatives as accept ors and op en-circuit voltage inpolymer-f ullerene s olar cells ارائه شده در 15th Iranian Physical Chemistry Conference (1391)
- THE COMPUTATIONAL STUDES ON NANOTUBE - GRAPHENENANORBBONS HYBRDS COMBINED THROUGH PEPTDE BRIDGES BYDENSTY FUNCTIONAL THEORY CALCULATIONS ارائه شده در 3rd International Conference on Ultrafine Grained and Nanostructured Materials (1390)
- Elimination of Mercaptobenzothiazole from Cefixim Waste by Zeolite ارائه شده در Iran International Zeolite Conference (1387)
- A Study of Isomorphously Substituted Effects on 17O and 2H Electeric Field Gradient Tensors in the MCM-22 Zeolite with Density Functional Theory ارائه شده در Iran International Zeolite Conference (1387)
- Improvement of Citalopram Purity by Adsorption on Zeolite Solid Phase ارائه شده در Iran International Zeolite Conference (1387)
- تاثیر پیوندهای هیدروژنی جفت باز گوانین- سیتوزین در ساختار بلوری واقعی DNA با محاسبه تانسورهای گرادیان میدان الکتریکی هسته های 17o، N14، H2، به روش نظریه تابع چگالی ارائه شده در 6th National Conference on Science (1386)
Journal Papers
- A comparison between density functional theory calculations and the additive schemes of polarizabilities of the Li-F-decorated BN cages منتشر شده در Journal of Applied Organometallic Chemistry (1400)
- افزایش جذب نوری تکلایة WS2 با استفاده از لایة میانی و لایة پلاسمونیک نقره منتشر شده در The Physics Society Of Iran (1399)